N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine

C15H32N2 — CID 65295973

IUPACN'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine
SMILESCCCCN(CCCC(C)(C)CCN)C1CC1
InChIInChI=1S/C15H32N2/c1-4-5-12-17(14-7-8-14)13-6-9-15(2,3)10-11-16/h14H,4-13,16H2,1-3H3
InChIKeyJRPSBHQWPHLVIV-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.41
Rot. Bonds10

About N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine

N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine (PubChem CID 65295973) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine
PubChem CID65295973
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine
SMILESCCCCN(CCCC(C)(C)CCN)C1CC1
InChIInChI=1S/C15H32N2/c1-4-5-12-17(14-7-8-14)13-6-9-15(2,3)10-11-16/h14H,4-13,16H2,1-3H3
InChIKeyJRPSBHQWPHLVIV-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine
CID 79005181
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
CID 65296059
5-[butyl(cyclopropyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64825919
N'-cyclopropyl-N'-hexylpropane-1,3-diamine
CID 43137504
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 62553891
N'-cyclopropyl-2,2-dimethyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 79005112
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803224
3,3-dimethylpentadecan-1-amine
CID 81014127
2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol
CID 64797037
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine?
The IUPAC name of N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine (CID 65295973) is N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine.
What is the SMILES notation for N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine?
The canonical SMILES for N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine is CCCCN(CCCC(C)(C)CCN)C1CC1.
What is the InChIKey of N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine?
The InChIKey is JRPSBHQWPHLVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-5-12-17(14-7-8-14)13-6-9-15(2,3)10-11-16/h14H,4-13,16H2,1-3H3.
What are the key properties of N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine?
N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine is sourced from PubChem (CID 65295973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).