N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine

C16H27ClN4 — CID 114926315

IUPACN-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CCCC2CN(C)C)ncc1Cl
InChIInChI=1S/C16H27ClN4/c1-4-7-18-10-13-9-16(19-11-15(13)17)21-8-5-6-14(21)12-20(2)3/h9,11,14,18H,4-8,10,12H2,1-3H3
InChIKeySQUWDEJQEHCOHH-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.77
Rot. Bonds7

About N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine (PubChem CID 114926315) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine
PubChem CID114926315
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC NameN-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CCCC2CN(C)C)ncc1Cl
InChIInChI=1S/C16H27ClN4/c1-4-7-18-10-13-9-16(19-11-15(13)17)21-8-5-6-14(21)12-20(2)3/h9,11,14,18H,4-8,10,12H2,1-3H3
InChIKeySQUWDEJQEHCOHH-UHFFFAOYSA-N
XLogP2.77
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114924876
N-[[4-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 114850723
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114926213
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 103503053
N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925391
N-[[5-chloro-2-(2-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925386
N-[[2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 62888458
5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926307
5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrazin-2-amine
CID 80653400
1-[5-chloro-4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 114926695
N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 62888353
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62887839

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine (CID 114926315) is N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(N2CCCC2CN(C)C)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is SQUWDEJQEHCOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-4-7-18-10-13-9-16(19-11-15(13)17)21-8-5-6-14(21)12-20(2)3/h9,11,14,18H,4-8,10,12H2,1-3H3.
What are the key properties of N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114926315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).