N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine

C13H26N2 — CID 61444896

IUPACN-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(CC1CCCCC1)C(CN)C1CC1
InChIInChI=1S/C13H26N2/c1-15(13(9-14)12-7-8-12)10-11-5-3-2-4-6-11/h11-13H,2-10,14H2,1H3
InChIKeyWNBCUXMAOLKSDX-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.24
Rot. Bonds5

About N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine

N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 61444896) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID61444896
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(CC1CCCCC1)C(CN)C1CC1
InChIInChI=1S/C13H26N2/c1-15(13(9-14)12-7-8-12)10-11-5-3-2-4-6-11/h11-13H,2-10,14H2,1H3
InChIKeyWNBCUXMAOLKSDX-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
1-cyclopentyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63233100
1-cyclopentyl-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55227963
1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276195
N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836511
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303833
N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 60984338
2-N-(cyclopentylmethyl)-2-N-methylbutane-1,2-diamine
CID 63632440
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine
CID 63687931
1-cyclohexyl-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
CID 63954320
2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine
CID 62950046

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine (CID 61444896) is N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine is CN(CC1CCCCC1)C(CN)C1CC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is WNBCUXMAOLKSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-15(13(9-14)12-7-8-12)10-11-5-3-2-4-6-11/h11-13H,2-10,14H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine?
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 61444896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).