1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine

C18H38N2 — CID 63469786

IUPAC1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine
SMILESCCCCCN(C(C)C)C1CCCCCC1NCCC
InChIInChI=1S/C18H38N2/c1-5-7-11-15-20(16(3)4)18-13-10-8-9-12-17(18)19-14-6-2/h16-19H,5-15H2,1-4H3
InChIKeyRBTOIHGYYWVMAF-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.59
Rot. Bonds9

About 1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine

1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine (PubChem CID 63469786) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine
PubChem CID63469786
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine
SMILESCCCCCN(C(C)C)C1CCCCCC1NCCC
InChIInChI=1S/C18H38N2/c1-5-7-11-15-20(16(3)4)18-13-10-8-9-12-17(18)19-14-6-2/h16-19H,5-15H2,1-4H3
InChIKeyRBTOIHGYYWVMAF-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.59
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

2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189
4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469605
2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine
CID 63468526
4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469963
1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine
CID 63467595
1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762
trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
CID 102732042
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 103188428
2-N-ethyl-2-N-(2-methylpropyl)-1-N-propylcyclooctane-1,2-diamine
CID 63467359
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 102992452
N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55085372
4-ethyl-2-N-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63464854

Frequently Asked Questions

What is the IUPAC name of 1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine?
The IUPAC name of 1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine (CID 63469786) is 1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine?
The canonical SMILES for 1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine is CCCCCN(C(C)C)C1CCCCCC1NCCC.
What is the InChIKey of 1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine?
The InChIKey is RBTOIHGYYWVMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-5-7-11-15-20(16(3)4)18-13-10-8-9-12-17(18)19-14-6-2/h16-19H,5-15H2,1-4H3.
What are the key properties of 1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine?
1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine is sourced from PubChem (CID 63469786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).