4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine

C13H26N2 — CID 114762819

IUPAC4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)C2CC2)CC1
InChIInChI=1S/C13H26N2/c1-3-10-14-11-4-6-12(7-5-11)15(2)13-8-9-13/h11-14H,3-10H2,1-2H3
InChIKeyMMXIQXFJYRMANO-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.39
Rot. Bonds5

About 4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine

4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine (PubChem CID 114762819) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
PubChem CID114762819
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)C2CC2)CC1
InChIInChI=1S/C13H26N2/c1-3-10-14-11-4-6-12(7-5-11)15(2)13-8-9-13/h11-14H,3-10H2,1-2H3
InChIKeyMMXIQXFJYRMANO-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528
4-N-(3,5-dimethylcyclohexyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123181
3-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propylcyclopentane-1,3-diamine
CID 79642701
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 102999190
4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123260
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
CID 79153266
N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide
CID 79122875
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
4-N-(2-ethylbutyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 82925922
4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 107898574

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine (CID 114762819) is 4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(C)C2CC2)CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is MMXIQXFJYRMANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-10-14-11-4-6-12(7-5-11)15(2)13-8-9-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 114762819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).