N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine

C16H34N2 — CID 62257203

IUPACN-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(C)C1CCCCCC1
InChIInChI=1S/C16H34N2/c1-5-12-17-13-16(2,3)14-18(4)15-10-8-6-7-9-11-15/h15,17H,5-14H2,1-4H3
InChIKeyZCQQFUFEMKXCHB-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds7

About N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine

N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine (PubChem CID 62257203) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
PubChem CID62257203
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(C)C1CCCCCC1
InChIInChI=1S/C16H34N2/c1-5-12-17-13-16(2,3)14-18(4)15-10-8-6-7-9-11-15/h15,17H,5-14H2,1-4H3
InChIKeyZCQQFUFEMKXCHB-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
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

N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
CID 55195594
N-cyclohexyl-N'-cyclopropyl-N,2,2-trimethylpropane-1,3-diamine
CID 62262681
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501
N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62256954
N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
2-cyclohexyl-1-(propylamino)propan-2-ol
CID 62775287
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine
CID 115204377
N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 62263106
2-[[cyclohexyl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 114287449
N-cyclohexyl-N'-cyclopropyl-2,2-diethyl-N-methylpropane-1,3-diamine
CID 62263046
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine (CID 62257203) is N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine is CCCNCC(C)(C)CN(C)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is ZCQQFUFEMKXCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-12-17-13-16(2,3)14-18(4)15-10-8-6-7-9-11-15/h15,17H,5-14H2,1-4H3.
What are the key properties of N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62257203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).