N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine

C16H34N2 — CID 79660402

IUPACN'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-6-18(13-16(4,5)12-17)14-8-7-10-15(2,3)11-9-14/h14H,6-13,17H2,1-5H3
InChIKeyIBSWSTFJPBKOGS-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds5

About N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine

N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine (PubChem CID 79660402) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
PubChem CID79660402
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-6-18(13-16(4,5)12-17)14-8-7-10-15(2,3)11-9-14/h14H,6-13,17H2,1-5H3
InChIKeyIBSWSTFJPBKOGS-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 62264209
N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668549
N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine
CID 79660758
N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine
CID 79660581
N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79902523
N'-ethyl-2,2-dimethyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901501
N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine
CID 106820709
1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol
CID 64818871
N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79847083
2,2-dimethyl-N'-(5-oxaspiro[3.5]nonan-8-yl)-N'-propylpropane-1,3-diamine
CID 79898830
N-(2,2-dimethylpropyl)-N-ethylcyclopropanamine
CID 67816379
N,N-diethylcyclobutanamine;ethane
CID 170746144

Frequently Asked Questions

What is the IUPAC name of N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine (CID 79660402) is N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine is CCN(CC(C)(C)CN)C1CCCC(C)(C)CC1.
What is the InChIKey of N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The InChIKey is IBSWSTFJPBKOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-18(13-16(4,5)12-17)14-8-7-10-15(2,3)11-9-14/h14H,6-13,17H2,1-5H3.
What are the key properties of N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79660402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).