4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine

C16H28ClN3S — CID 65078125

IUPAC4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(CN)(N(C)Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C16H28ClN3S/c1-13(2)20-9-4-7-16(12-18,8-10-20)19(3)11-14-5-6-15(17)21-14/h5-6,13H,4,7-12,18H2,1-3H3
InChIKeyBQFLHDPMUMASQQ-UHFFFAOYSA-N
MW329.94 g/mol
LogP3.43
Rot. Bonds5

About 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine

4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine (PubChem CID 65078125) has the molecular formula C16H28ClN3S and a molecular weight of 329.94 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine
PubChem CID65078125
Molecular FormulaC16H28ClN3S
Molecular Weight329.94 g/mol
Exact Mass329.17
IUPAC Name4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(CN)(N(C)Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C16H28ClN3S/c1-13(2)20-9-4-7-16(12-18,8-10-20)19(3)11-14-5-6-15(17)21-14/h5-6,13H,4,7-12,18H2,1-3H3
InChIKeyBQFLHDPMUMASQQ-UHFFFAOYSA-N
XLogP3.43
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.94
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078410
4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65075980
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 61415917
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine
CID 65078106
4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65078658
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine
CID 112740228
4-(aminomethyl)-N-methyl-N-(3-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65076221
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 61438166
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65078649
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 61438260
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine
CID 61422834

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine (CID 65078125) is 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(CN)(N(C)Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine?
The InChIKey is BQFLHDPMUMASQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3S/c1-13(2)20-9-4-7-16(12-18,8-10-20)19(3)11-14-5-6-15(17)21-14/h5-6,13H,4,7-12,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine?
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine has a molecular weight of 329.94 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65078125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).