N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline

C19H30N2 — CID 78944932

IUPACN-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline
SMILESCc1cc(N(CCC(C)C)C2CC2)ccc1CNC1CC1
InChIInChI=1S/C19H30N2/c1-14(2)10-11-21(18-8-9-18)19-7-4-16(15(3)12-19)13-20-17-5-6-17/h4,7,12,14,17-18,20H,5-6,8-11,13H2,1-3H3
InChIKeyHHTOSPFNRCOOKB-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.26
Rot. Bonds8

About N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline

N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline (PubChem CID 78944932) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline
PubChem CID78944932
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline
SMILESCc1cc(N(CCC(C)C)C2CC2)ccc1CNC1CC1
InChIInChI=1S/C19H30N2/c1-14(2)10-11-21(18-8-9-18)19-7-4-16(15(3)12-19)13-20-17-5-6-17/h4,7,12,14,17-18,20H,5-6,8-11,13H2,1-3H3
InChIKeyHHTOSPFNRCOOKB-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.26
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-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline
CID 62135574
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline
CID 62134168
4-[cyclopropyl(3-methylbutyl)amino]-2-methylbenzaldehyde
CID 78944541
2-N-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190010
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200
4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline
CID 62135055
N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline
CID 62136236
N-butyl-4-[(cyclopropylamino)methyl]-N-ethyl-3-methylaniline
CID 55039009
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline
CID 55002084
N-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-N-methylthiolan-3-amine
CID 55038774
5-chloro-N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(3-methylbutyl)pyridin-2-amine
CID 78987726
1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol
CID 78992152

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline?
The IUPAC name of N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline (CID 78944932) is N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline?
The canonical SMILES for N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline is Cc1cc(N(CCC(C)C)C2CC2)ccc1CNC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline?
The InChIKey is HHTOSPFNRCOOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)10-11-21(18-8-9-18)19-7-4-16(15(3)12-19)13-20-17-5-6-17/h4,7,12,14,17-18,20H,5-6,8-11,13H2,1-3H3.
What are the key properties of N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline?
N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline has a molecular weight of 286.46 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline is sourced from PubChem (CID 78944932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).