N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine

C18H29N3 — CID 81254147

IUPACN-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(N2CCCC(C)(C)CC2)c(CNC2CC2)cn1
InChIInChI=1S/C18H29N3/c1-14-11-17(15(12-19-14)13-20-16-5-6-16)21-9-4-7-18(2,3)8-10-21/h11-12,16,20H,4-10,13H2,1-3H3
InChIKeyDIILNDRGXXCAPO-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.66
Rot. Bonds4

About N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine

N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81254147) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81254147
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(N2CCCC(C)(C)CC2)c(CNC2CC2)cn1
InChIInChI=1S/C18H29N3/c1-14-11-17(15(12-19-14)13-20-16-5-6-16)21-9-4-7-18(2,3)8-10-21/h11-12,16,20H,4-10,13H2,1-3H3
InChIKeyDIILNDRGXXCAPO-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3,3-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81247817
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81246999
N-[[6-methyl-4-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81249369
N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81247724
N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81248799
N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81253804
N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81253602
[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol
CID 81238075
N-[[4-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254175
N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81247350
N-[[6-methyl-4-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81253130
1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81248041

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 81254147) is N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(N2CCCC(C)(C)CC2)c(CNC2CC2)cn1.
What is the InChIKey of N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is DIILNDRGXXCAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14-11-17(15(12-19-14)13-20-16-5-6-16)21-9-4-7-18(2,3)8-10-21/h11-12,16,20H,4-10,13H2,1-3H3.
What are the key properties of N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81254147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).