2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine

C18H36N2 — CID 63468526

IUPAC2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine
SMILESCCCNC1CCCCCCC1N(CC1CC1)C(C)C
InChIInChI=1S/C18H36N2/c1-4-13-19-17-9-7-5-6-8-10-18(17)20(15(2)3)14-16-11-12-16/h15-19H,4-14H2,1-3H3
InChIKeyRRYPDGZYAPZMCJ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds7

About 2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine

2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine (PubChem CID 63468526) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine
PubChem CID63468526
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine
SMILESCCCNC1CCCCCCC1N(CC1CC1)C(C)C
InChIInChI=1S/C18H36N2/c1-4-13-19-17-9-7-5-6-8-10-18(17)20(15(2)3)14-16-11-12-16/h15-19H,4-14H2,1-3H3
InChIKeyRRYPDGZYAPZMCJ-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189
1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine
CID 63469786
2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 107397961
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
4-ethyl-2-N-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63464854
1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762
2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile
CID 54999379
4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469963
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine
CID 55194190
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
CID 63468159
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 55228107

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine (CID 63468526) is 2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine is CCCNC1CCCCCCC1N(CC1CC1)C(C)C.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine?
The InChIKey is RRYPDGZYAPZMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-13-19-17-9-7-5-6-8-10-18(17)20(15(2)3)14-16-11-12-16/h15-19H,4-14H2,1-3H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine?
2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine is sourced from PubChem (CID 63468526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).