N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine

C14H22N2 — CID 62630764

IUPACN'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
SMILESCc1ccccc1C(N)CCN(C)C1CC1
InChIInChI=1S/C14H22N2/c1-11-5-3-4-6-13(11)14(15)9-10-16(2)12-7-8-12/h3-6,12,14H,7-10,15H2,1-2H3
InChIKeyPFJZSGBYAQWNMT-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.48
Rot. Bonds5

About N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine

N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine (PubChem CID 62630764) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
PubChem CID62630764
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
SMILESCc1ccccc1C(N)CCN(C)C1CC1
InChIInChI=1S/C14H22N2/c1-11-5-3-4-6-13(11)14(15)9-10-16(2)12-7-8-12/h3-6,12,14H,7-10,15H2,1-2H3
InChIKeyPFJZSGBYAQWNMT-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629255
N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 55098071
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 61450749
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
CID 43611052
1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 55098115
N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine
CID 65488249
N'-methyl-1-(2-methylphenyl)-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 63712539
1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62624360
N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62630412

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine (CID 62630764) is N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine is Cc1ccccc1C(N)CCN(C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is PFJZSGBYAQWNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-5-3-4-6-13(11)14(15)9-10-16(2)12-7-8-12/h3-6,12,14H,7-10,15H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine?
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62630764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).