2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine

C17H36N2 — CID 55194189

IUPAC2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
SMILESCCCNC1CCCCCCC1N(CCC)C(C)C
InChIInChI=1S/C17H36N2/c1-5-13-18-16-11-9-7-8-10-12-17(16)19(14-6-2)15(3)4/h15-18H,5-14H2,1-4H3
InChIKeyCNVOXKPCFXEABC-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.20
Rot. Bonds7

About 2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine

2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine (PubChem CID 55194189) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
PubChem CID55194189
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
SMILESCCCNC1CCCCCCC1N(CCC)C(C)C
InChIInChI=1S/C17H36N2/c1-5-13-18-16-11-9-7-8-10-12-17(16)19(14-6-2)15(3)4/h15-18H,5-14H2,1-4H3
InChIKeyCNVOXKPCFXEABC-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine
CID 63469786
2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine
CID 63468526
4-ethyl-2-N-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63464854
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-propan-2-yl-2-N-propylcyclododecane-1,2-diamine
CID 43269481
1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 55228107
1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine
CID 63467595
4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469605
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 102992452
4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469963

Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine?
The IUPAC name of 2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine (CID 55194189) is 2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine?
The canonical SMILES for 2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine is CCCNC1CCCCCCC1N(CCC)C(C)C.
What is the InChIKey of 2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine?
The InChIKey is CNVOXKPCFXEABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-13-18-16-11-9-7-8-10-12-17(16)19(14-6-2)15(3)4/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine?
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine has a molecular weight of 268.49 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-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine is sourced from PubChem (CID 55194189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).