1-N'-cycloheptylheptane-1,1-diamine

C14H30N2 — CID 135361664

IUPAC1-N'-cycloheptylheptane-1,1-diamine
SMILESCCCCCCC(N)NC1CCCCCC1
InChIInChI=1S/C14H30N2/c1-2-3-4-9-12-14(15)16-13-10-7-5-6-8-11-13/h13-14,16H,2-12,15H2,1H3
InChIKeyUAZYFQSOLZOOHP-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.55
Rot. Bonds7

About 1-N'-cycloheptylheptane-1,1-diamine

1-N'-cycloheptylheptane-1,1-diamine (PubChem CID 135361664) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N'-cycloheptylheptane-1,1-diamine.

Molecular Properties

Compound Name1-N'-cycloheptylheptane-1,1-diamine
PubChem CID135361664
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N'-cycloheptylheptane-1,1-diamine
SMILESCCCCCCC(N)NC1CCCCCC1
InChIInChI=1S/C14H30N2/c1-2-3-4-9-12-14(15)16-13-10-7-5-6-8-11-13/h13-14,16H,2-12,15H2,1H3
InChIKeyUAZYFQSOLZOOHP-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
N-decan-4-ylcyclohexanamine
CID 175237913
N-heptan-2-ylcycloheptanamine
CID 43082272
N-(2-methyldodecan-3-yl)cyclohexanamine
CID 150788922
2-(cyclohexylamino)octanamide
CID 54893908
1-cycloheptylheptan-1-amine
CID 65399314
2-(cyclohexylamino)nonanenitrile
CID 54894188
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
N-[2-(cyclohexylamino)dodecylidene]hydroxylamine
CID 3507266
1-cycloheptyldodecylhydrazine
CID 105330602

Frequently Asked Questions

What is the IUPAC name of 1-N'-cycloheptylheptane-1,1-diamine?
The IUPAC name of 1-N'-cycloheptylheptane-1,1-diamine (CID 135361664) is 1-N'-cycloheptylheptane-1,1-diamine.
What is the SMILES notation for 1-N'-cycloheptylheptane-1,1-diamine?
The canonical SMILES for 1-N'-cycloheptylheptane-1,1-diamine is CCCCCCC(N)NC1CCCCCC1.
What is the InChIKey of 1-N'-cycloheptylheptane-1,1-diamine?
The InChIKey is UAZYFQSOLZOOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-2-3-4-9-12-14(15)16-13-10-7-5-6-8-11-13/h13-14,16H,2-12,15H2,1H3.
What are the key properties of 1-N'-cycloheptylheptane-1,1-diamine?
1-N'-cycloheptylheptane-1,1-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cycloheptylheptane-1,1-diamine is sourced from PubChem (CID 135361664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).