N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine

C14H30N2 — CID 62561284

IUPACN'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
SMILESCC(C)CCC(C)NCCN(C)CC1CC1
InChIInChI=1S/C14H30N2/c1-12(2)5-6-13(3)15-9-10-16(4)11-14-7-8-14/h12-15H,5-11H2,1-4H3
InChIKeyMUVZTOZOXYHASR-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds9

About N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine

N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine (PubChem CID 62561284) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
PubChem CID62561284
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
SMILESCC(C)CCC(C)NCCN(C)CC1CC1
InChIInChI=1S/C14H30N2/c1-12(2)5-6-13(3)15-9-10-16(4)11-14-7-8-14/h12-15H,5-11H2,1-4H3
InChIKeyMUVZTOZOXYHASR-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine (CID 62561284) is N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine is CC(C)CCC(C)NCCN(C)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
The InChIKey is MUVZTOZOXYHASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)5-6-13(3)15-9-10-16(4)11-14-7-8-14/h12-15H,5-11H2,1-4H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62561284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).