3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine

C14H30N2 — CID 79408924

IUPAC3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine
SMILESCNCC(C)C(C)N(C)C1CCCCCC1
InChIInChI=1S/C14H30N2/c1-12(11-15-3)13(2)16(4)14-9-7-5-6-8-10-14/h12-15H,5-11H2,1-4H3
InChIKeyZDUIGTMNCQNHMV-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds5

About 3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine

3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine (PubChem CID 79408924) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine
PubChem CID79408924
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine
SMILESCNCC(C)C(C)N(C)C1CCCCCC1
InChIInChI=1S/C14H30N2/c1-12(11-15-3)13(2)16(4)14-9-7-5-6-8-10-14/h12-15H,5-11H2,1-4H3
InChIKeyZDUIGTMNCQNHMV-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cyclopropyl-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79413928
3-N-cycloheptyl-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79409031
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
3-N-cyclopropyl-1-N-ethyl-3-N,2-dimethylbutane-1,3-diamine
CID 81011652
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
3-cyclohexyl-N,2-dimethylbutan-1-amine
CID 81015775
3-N-(1-cyclopropylethyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79409133
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
2-N-cyclopentyl-2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine
CID 62422117

Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine?
The IUPAC name of 3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine (CID 79408924) is 3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine is CNCC(C)C(C)N(C)C1CCCCCC1.
What is the InChIKey of 3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine?
The InChIKey is ZDUIGTMNCQNHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(11-15-3)13(2)16(4)14-9-7-5-6-8-10-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine?
3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cycloheptyl-1-N,3-N,2-trimethylbutane-1,3-diamine is sourced from PubChem (CID 79408924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).