2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine

C16H29N3O — CID 62570711

IUPAC2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccco1)N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H29N3O/c1-14(11-17-12-16-5-4-10-20-16)19-8-6-15(7-9-19)13-18(2)3/h4-5,10,14-15,17H,6-9,11-13H2,1-3H3
InChIKeyIDHHNPGEVFWKMP-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.03
Rot. Bonds7

About 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine

2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 62570711) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID62570711
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccco1)N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H29N3O/c1-14(11-17-12-16-5-4-10-20-16)19-8-6-15(7-9-19)13-18(2)3/h4-5,10,14-15,17H,6-9,11-13H2,1-3H3
InChIKeyIDHHNPGEVFWKMP-UHFFFAOYSA-N
XLogP2.03
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-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-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 62569548
2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569948
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 55073601
N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62557140
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 64521491
N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62557113
1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine
CID 63250602
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)propan-1-amine
CID 62597661
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine
CID 62570331
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 63115985
2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 55226797
N-(furan-2-ylmethyl)-2-(oxetan-3-yloxy)propan-1-amine
CID 102608367

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine (CID 62570711) is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine is CC(CNCc1ccco1)N1CCC(CN(C)C)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is IDHHNPGEVFWKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-14(11-17-12-16-5-4-10-20-16)19-8-6-15(7-9-19)13-18(2)3/h4-5,10,14-15,17H,6-9,11-13H2,1-3H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine?
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62570711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).