1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine

C12H26N2 — CID 62065123

IUPAC1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine
SMILESCC(C)NC1(CN)CCCCCCC1
InChIInChI=1S/C12H26N2/c1-11(2)14-12(10-13)8-6-4-3-5-7-9-12/h11,14H,3-10,13H2,1-2H3
InChIKeyYQWWLMWNOGGPBP-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.43
Rot. Bonds3

About 1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine

1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine (PubChem CID 62065123) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine
PubChem CID62065123
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine
SMILESCC(C)NC1(CN)CCCCCCC1
InChIInChI=1S/C12H26N2/c1-11(2)14-12(10-13)8-6-4-3-5-7-9-12/h11,14H,3-10,13H2,1-2H3
InChIKeyYQWWLMWNOGGPBP-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine (CID 62065123) is 1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine is CC(C)NC1(CN)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine?
The InChIKey is YQWWLMWNOGGPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)14-12(10-13)8-6-4-3-5-7-9-12/h11,14H,3-10,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine?
1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-propan-2-ylcyclooctan-1-amine is sourced from PubChem (CID 62065123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).