4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline

C17H26N2 — CID 103904163

IUPAC4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline
SMILESCC(NCC1(C2CC2)CC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H26N2/c1-13(14-4-8-16(9-5-14)19(2)3)18-12-17(10-11-17)15-6-7-15/h4-5,8-9,13,15,18H,6-7,10-12H2,1-3H3
InChIKeyPMYPZISNSRCIRF-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.59
Rot. Bonds6

About 4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline

4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline (PubChem CID 103904163) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline
PubChem CID103904163
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline
SMILESCC(NCC1(C2CC2)CC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H26N2/c1-13(14-4-8-16(9-5-14)19(2)3)18-12-17(10-11-17)15-6-7-15/h4-5,8-9,13,15,18H,6-7,10-12H2,1-3H3
InChIKeyPMYPZISNSRCIRF-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.59
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

2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103922020
1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine
CID 114095532
N,N-dimethyl-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]aniline
CID 80725736
N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 103904137
N,N-dimethyl-4-[1-(thian-4-ylmethylamino)ethyl]aniline
CID 115719880
N-[(1-cyclopropylcyclopropyl)methyl]-1-(furan-2-yl)ethanamine
CID 115895715
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 114095465
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093870
N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 114095475
N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline
CID 43755380
N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline
CID 114449211
1-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767769

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline (CID 103904163) is 4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline is CC(NCC1(C2CC2)CC1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline?
The InChIKey is PMYPZISNSRCIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(14-4-8-16(9-5-14)19(2)3)18-12-17(10-11-17)15-6-7-15/h4-5,8-9,13,15,18H,6-7,10-12H2,1-3H3.
What are the key properties of 4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline?
4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline has a molecular weight of 258.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 103904163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).