(1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine

C20H29N3O2 — CID 100705133

IUPAC(1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine
SMILESCC(C)CC[C@H](NCc1cccnc1N1CCOCC1)c1ccoc1
InChIInChI=1S/C20H29N3O2/c1-16(2)5-6-19(18-7-11-25-15-18)22-14-17-4-3-8-21-20(17)23-9-12-24-13-10-23/h3-4,7-8,11,15-16,19,22H,5-6,9-10,12-14H2,1-2H3/t19-/m0/s1
InChIKeyVCRFXZCPTHJABP-IBGZPJMESA-N
MW343.47 g/mol
LogP3.78
Rot. Bonds8

About (1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine

(1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine (PubChem CID 100705133) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine
PubChem CID100705133
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine
SMILESCC(C)CC[C@H](NCc1cccnc1N1CCOCC1)c1ccoc1
InChIInChI=1S/C20H29N3O2/c1-16(2)5-6-19(18-7-11-25-15-18)22-14-17-4-3-8-21-20(17)23-9-12-24-13-10-23/h3-4,7-8,11,15-16,19,22H,5-6,9-10,12-14H2,1-2H3/t19-/m0/s1
InChIKeyVCRFXZCPTHJABP-IBGZPJMESA-N
XLogP3.78
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62974256
(1S)-1-(5-ethylfuran-2-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 97229911
1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine
CID 136551934
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 26336284
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824
1-(2-morpholin-4-yl-3-pyridinyl)propan-2-amine
CID 83890121
2-methyl-1-(5-methylhexyl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111580276
4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine
CID 136557232
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62281138
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913
N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 26316419

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine?
The IUPAC name of (1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine (CID 100705133) is (1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine.
What is the SMILES notation for (1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine?
The canonical SMILES for (1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine is CC(C)CC[C@H](NCc1cccnc1N1CCOCC1)c1ccoc1.
What is the InChIKey of (1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine?
The InChIKey is VCRFXZCPTHJABP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16(2)5-6-19(18-7-11-25-15-18)22-14-17-4-3-8-21-20(17)23-9-12-24-13-10-23/h3-4,7-8,11,15-16,19,22H,5-6,9-10,12-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine?
(1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine is sourced from PubChem (CID 100705133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).