2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine

C15H32N2 — CID 60709986

IUPAC2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine
SMILESCCCN(CC1CC1)C(C)(CN)CCC(C)C
InChIInChI=1S/C15H32N2/c1-5-10-17(11-14-6-7-14)15(4,12-16)9-8-13(2)3/h13-14H,5-12,16H2,1-4H3
InChIKeySSVDLGZZYUSJAD-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.26
Rot. Bonds9

About 2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine

2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine (PubChem CID 60709986) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine
PubChem CID60709986
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine
SMILESCCCN(CC1CC1)C(C)(CN)CCC(C)C
InChIInChI=1S/C15H32N2/c1-5-10-17(11-14-6-7-14)15(4,12-16)9-8-13(2)3/h13-14H,5-12,16H2,1-4H3
InChIKeySSVDLGZZYUSJAD-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclopropylmethyl)-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 63956765
2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 60709914
2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine
CID 78974063
2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63233337
2-N-cyclopentyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43540970
2-N-ethyl-2-N-(2-ethylbutyl)-2,5-dimethylhexane-1,2-diamine
CID 63471970
2-N-cyclohexyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43409655
2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
CID 43267042
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine
CID 107397828

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine (CID 60709986) is 2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine is CCCN(CC1CC1)C(C)(CN)CCC(C)C.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine?
The InChIKey is SSVDLGZZYUSJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-10-17(11-14-6-7-14)15(4,12-16)9-8-13(2)3/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine?
2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine is sourced from PubChem (CID 60709986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).