3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine

C16H34N2 — CID 79409031

IUPAC3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)NCC(C)C(C)N(C)C1CCCCCC1
InChIInChI=1S/C16H34N2/c1-13(2)17-12-14(3)15(4)18(5)16-10-8-6-7-9-11-16/h13-17H,6-12H2,1-5H3
InChIKeyHPBRISXNEDDKRO-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.66
Rot. Bonds6

About 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine

3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 79409031) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID79409031
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)NCC(C)C(C)N(C)C1CCCCCC1
InChIInChI=1S/C16H34N2/c1-13(2)17-12-14(3)15(4)18(5)16-10-8-6-7-9-11-16/h13-17H,6-12H2,1-5H3
InChIKeyHPBRISXNEDDKRO-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79408924
3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79413928
2-N-cyclohexyl-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83043219
3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79409276
3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine
CID 81011652
N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62417209
1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine
CID 79409675
3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79413799
1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine
CID 79408724
ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane
CID 142239228
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
1-[cyclohexyl(methyl)amino]ethanethiol
CID 88653649

Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine (CID 79409031) is 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine is CC(C)NCC(C)C(C)N(C)C1CCCCCC1.
What is the InChIKey of 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is HPBRISXNEDDKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(2)17-12-14(3)15(4)18(5)16-10-8-6-7-9-11-16/h13-17H,6-12H2,1-5H3.
What are the key properties of 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine?
3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 79409031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).