4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine

C16H35N3 — CID 65076321

IUPAC4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine
SMILESCCN1CCCC(CN)(N(C)C(C)C(C)(C)C)CC1
InChIInChI=1S/C16H35N3/c1-7-19-11-8-9-16(13-17,10-12-19)18(6)14(2)15(3,4)5/h14H,7-13,17H2,1-6H3
InChIKeyKANGGQUNRIPGRP-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.56
Rot. Bonds4

About 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine

4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine (PubChem CID 65076321) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine
PubChem CID65076321
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine
SMILESCCN1CCCC(CN)(N(C)C(C)C(C)(C)C)CC1
InChIInChI=1S/C16H35N3/c1-7-19-11-8-9-16(13-17,10-12-19)18(6)14(2)15(3,4)5/h14H,7-13,17H2,1-6H3
InChIKeyKANGGQUNRIPGRP-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-ethyl-N-(2-methoxyethyl)-N-propan-2-ylazepan-4-amine
CID 82948086
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine
CID 65088226
4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
CID 65075624
4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine
CID 65078650
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
CID 65078460
4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine
CID 79483196
4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine
CID 65076127
4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine
CID 55011698
4-(aminomethyl)-N-methyl-N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65078658
4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
CID 65078408
4-(aminomethyl)-N-cyclopropyl-1-ethyl-N-methylpiperidin-4-amine
CID 43264813
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine (CID 65076321) is 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine is CCN1CCCC(CN)(N(C)C(C)C(C)(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine?
The InChIKey is KANGGQUNRIPGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-7-19-11-8-9-16(13-17,10-12-19)18(6)14(2)15(3,4)5/h14H,7-13,17H2,1-6H3.
What are the key properties of 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine?
4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine has a molecular weight of 269.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine is sourced from PubChem (CID 65076321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).