N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine

C14H30N2 — CID 62556874

IUPACN'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)C(C)NCCN(CC1CC1)C(C)C
InChIInChI=1S/C14H30N2/c1-11(2)13(5)15-8-9-16(12(3)4)10-14-6-7-14/h11-15H,6-10H2,1-5H3
InChIKeyPKCMTJGIDLUWEN-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds8

About N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine

N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62556874) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID62556874
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)C(C)NCCN(CC1CC1)C(C)C
InChIInChI=1S/C14H30N2/c1-11(2)13(5)15-8-9-16(12(3)4)10-14-6-7-14/h11-15H,6-10H2,1-5H3
InChIKeyPKCMTJGIDLUWEN-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine (CID 62556874) is N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine is CC(C)C(C)NCCN(CC1CC1)C(C)C.
What is the InChIKey of N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is PKCMTJGIDLUWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)13(5)15-8-9-16(12(3)4)10-14-6-7-14/h11-15H,6-10H2,1-5H3.
What are the key properties of N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine?
N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62556874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).