4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine

C14H22N2 — CID 43587994

IUPAC4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine
SMILESCCCN(CC1CC1)c1ccc(N)c(C)c1
InChIInChI=1S/C14H22N2/c1-3-8-16(10-12-4-5-12)13-6-7-14(15)11(2)9-13/h6-7,9,12H,3-5,8,10,15H2,1-2H3
InChIKeyIJZWQAKAWVIQKX-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.20
Rot. Bonds5

About 4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine

4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine (PubChem CID 43587994) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine
PubChem CID43587994
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine
SMILESCCCN(CC1CC1)c1ccc(N)c(C)c1
InChIInChI=1S/C14H22N2/c1-3-8-16(10-12-4-5-12)13-6-7-14(15)11(2)9-13/h6-7,9,12H,3-5,8,10,15H2,1-2H3
InChIKeyIJZWQAKAWVIQKX-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
CID 62134263
2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide
CID 80645589
N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63551176
3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine
CID 62588869
4-N-benzyl-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587676
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 62945842
3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 91053808
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline
CID 61445151
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline
CID 63816141
4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 61441154
4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899998
3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
CID 43588041

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine (CID 43587994) is 4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine is CCCN(CC1CC1)c1ccc(N)c(C)c1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine?
The InChIKey is IJZWQAKAWVIQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-8-16(10-12-4-5-12)13-6-7-14(15)11(2)9-13/h6-7,9,12H,3-5,8,10,15H2,1-2H3.
What are the key properties of 4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine?
4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 43587994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).