N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine

C12H26N2 — CID 63622599

IUPACN-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
SMILESCC1CCCN(CCNC(C)C)CC1
InChIInChI=1S/C12H26N2/c1-11(2)13-7-10-14-8-4-5-12(3)6-9-14/h11-13H,4-10H2,1-3H3
InChIKeyKKVOATBTBVOZCS-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine

N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine (PubChem CID 63622599) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
PubChem CID63622599
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
SMILESCC1CCCN(CCNC(C)C)CC1
InChIInChI=1S/C12H26N2/c1-11(2)13-7-10-14-8-4-5-12(3)6-9-14/h11-13H,4-10H2,1-3H3
InChIKeyKKVOATBTBVOZCS-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
1-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 62631760
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
3-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 62574451
4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
CID 63624701
(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 94895891
3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 61240080
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661
N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
CID 177193446
4-(4-methylazepan-1-yl)-2-(propylamino)butanenitrile
CID 63622118
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 61240692
4-methyl-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63626139

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine (CID 63622599) is N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine is CC1CCCN(CCNC(C)C)CC1.
What is the InChIKey of N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine?
The InChIKey is KKVOATBTBVOZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)13-7-10-14-8-4-5-12(3)6-9-14/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine?
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 63622599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).