N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline

C16H26N2 — CID 61445151

IUPACN-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CNCC)cc1
InChIInChI=1S/C16H26N2/c1-3-11-18(13-15-5-6-15)16-9-7-14(8-10-16)12-17-4-2/h7-10,15,17H,3-6,11-13H2,1-2H3
InChIKeyOXVCNWRHWWNCRQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.42
Rot. Bonds8

About N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline

N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline (PubChem CID 61445151) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline
PubChem CID61445151
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CNCC)cc1
InChIInChI=1S/C16H26N2/c1-3-11-18(13-15-5-6-15)16-9-7-14(8-10-16)12-17-4-2/h7-10,15,17H,3-6,11-13H2,1-2H3
InChIKeyOXVCNWRHWWNCRQ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline
CID 63816141
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62426751
N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine
CID 62412689
4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 61441154
4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587994
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline
CID 107399942
N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63551176
N-(cyclopropylmethyl)-N-ethyl-4-(ethylaminomethyl)pyridin-2-amine
CID 63940447
N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63550802
N-(cyclopropylmethyl)-3-(ethylaminomethyl)-4,6-dimethyl-N-propylpyridin-2-amine
CID 62284109
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
CID 62134263

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline?
The IUPAC name of N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline (CID 61445151) is N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline?
The canonical SMILES for N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline is CCCN(CC1CC1)c1ccc(CNCC)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline?
The InChIKey is OXVCNWRHWWNCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-11-18(13-15-5-6-15)16-9-7-14(8-10-16)12-17-4-2/h7-10,15,17H,3-6,11-13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline?
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline is sourced from PubChem (CID 61445151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).