1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine

C13H28N2 — CID 106799304

IUPAC1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine
SMILESCCNC(CC)CCCN(CC)C1CC1
InChIInChI=1S/C13H28N2/c1-4-12(14-5-2)8-7-11-15(6-3)13-9-10-13/h12-14H,4-11H2,1-3H3
InChIKeyDMUNESGFSMGBBH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds9

About 1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine

1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine (PubChem CID 106799304) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine
PubChem CID106799304
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine
SMILESCCNC(CC)CCCN(CC)C1CC1
InChIInChI=1S/C13H28N2/c1-4-12(14-5-2)8-7-11-15(6-3)13-9-10-13/h12-14H,4-11H2,1-3H3
InChIKeyDMUNESGFSMGBBH-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine
CID 106799150
4-N-ethyl-1-N-methyl-1-N-(2-methylcyclohexyl)hexane-1,4-diamine
CID 106799608
N'-cyclopropyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60852013
1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine
CID 106799560
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
CID 78977536
N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine
CID 62555536
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799873
N'-cyclopropyl-N,N'-diethylpentane-1,5-diamine
CID 62421283
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)hexan-3-amine
CID 106800125
N,7-diethylnonan-3-amine
CID 82925508
N-ethylnonan-3-amine
CID 60996683
N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine
CID 55023150

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine (CID 106799304) is 1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine is CCNC(CC)CCCN(CC)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine?
The InChIKey is DMUNESGFSMGBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-12(14-5-2)8-7-11-15(6-3)13-9-10-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine?
1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine is sourced from PubChem (CID 106799304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).