1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine

C17H36N2 — CID 63487162

IUPAC1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
SMILESCCCCCCCN(CCC)C1(CN)CCCCC1
InChIInChI=1S/C17H36N2/c1-3-5-6-7-11-15-19(14-4-2)17(16-18)12-9-8-10-13-17/h3-16,18H2,1-2H3
InChIKeyRNEMQBBYVVLCKU-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.33
Rot. Bonds10

About 1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine

1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine (PubChem CID 63487162) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
PubChem CID63487162
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
SMILESCCCCCCCN(CCC)C1(CN)CCCCC1
InChIInChI=1S/C17H36N2/c1-3-5-6-7-11-15-19(14-4-2)17(16-18)12-9-8-10-13-17/h3-16,18H2,1-2H3
InChIKeyRNEMQBBYVVLCKU-UHFFFAOYSA-N
XLogP4.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine
CID 104647261
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine
CID 62009945
6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol
CID 107702972
1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64553128
4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide
CID 63890957
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 62008347
1-(aminomethyl)-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 62105853
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine (CID 63487162) is 1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine is CCCCCCCN(CCC)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine?
The InChIKey is RNEMQBBYVVLCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-3-5-6-7-11-15-19(14-4-2)17(16-18)12-9-8-10-13-17/h3-16,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine?
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63487162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).