N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine

C14H30N2 — CID 115318685

IUPACN'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)C1CCCCC1C(C)(C)C
InChIInChI=1S/C14H30N2/c1-14(2,3)12-8-5-6-9-13(12)16(4)11-7-10-15/h12-13H,5-11,15H2,1-4H3
InChIKeyVUWIECNLNLPGLV-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds4

About N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine

N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine (PubChem CID 115318685) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine
PubChem CID115318685
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)C1CCCCC1C(C)(C)C
InChIInChI=1S/C14H30N2/c1-14(2,3)12-8-5-6-9-13(12)16(4)11-7-10-15/h12-13H,5-11,15H2,1-4H3
InChIKeyVUWIECNLNLPGLV-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine (CID 115318685) is N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine is CN(CCCN)C1CCCCC1C(C)(C)C.
What is the InChIKey of N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine?
The InChIKey is VUWIECNLNLPGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-14(2,3)12-8-5-6-9-13(12)16(4)11-7-10-15/h12-13H,5-11,15H2,1-4H3.
What are the key properties of N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine?
N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylcyclohexyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115318685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).