4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine

C16H34N2 — CID 114281893

IUPAC4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine
SMILESCC1CCCN(C(CN)C(C(C)C)C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-12(2)16(13(3)4)15(11-17)18-9-6-7-14(5)8-10-18/h12-16H,6-11,17H2,1-5H3
InChIKeyFGFVBACAYGRCOR-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.36
Rot. Bonds5

About 4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine

4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine (PubChem CID 114281893) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine
PubChem CID114281893
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine
SMILESCC1CCCN(C(CN)C(C(C)C)C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-12(2)16(13(3)4)15(11-17)18-9-6-7-14(5)8-10-18/h12-16H,6-11,17H2,1-5H3
InChIKeyFGFVBACAYGRCOR-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
CID 79408333
ethane;4-methyl-1-propan-2-ylazepane
CID 144749711
(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 51624584
N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
CID 81019015
1-(1-amino-3-methylbutan-2-yl)piperidin-4-ol
CID 82405643
1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol
CID 164661529
1-but-3-en-2-yl-4-methylazepane
CID 131042080
4-methyl-2-(4-methylpiperidin-1-yl)pentan-1-amine
CID 16783937
3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61217888
2-(aminomethyl)-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 63622833
(2R)-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 30081942
N-[2-(4-methylazepan-1-yl)propyl]cyclopropanamine
CID 63625080

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine?
The IUPAC name of 4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine (CID 114281893) is 4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine.
What is the SMILES notation for 4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine?
The canonical SMILES for 4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine is CC1CCCN(C(CN)C(C(C)C)C(C)C)CC1.
What is the InChIKey of 4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine?
The InChIKey is FGFVBACAYGRCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-12(2)16(13(3)4)15(11-17)18-9-6-7-14(5)8-10-18/h12-16H,6-11,17H2,1-5H3.
What are the key properties of 4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine?
4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine is sourced from PubChem (CID 114281893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).