N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine

C16H24N2 — CID 62421837

IUPACN-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCN(Cc1ccc(CNC2CC2)cc1)C1CC1
InChIInChI=1S/C16H24N2/c1-2-18(16-9-10-16)12-14-5-3-13(4-6-14)11-17-15-7-8-15/h3-6,15-17H,2,7-12H2,1H3
InChIKeyCZVOTGCVJFULNW-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.92
Rot. Bonds7

About N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine

N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62421837) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID62421837
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCN(Cc1ccc(CNC2CC2)cc1)C1CC1
InChIInChI=1S/C16H24N2/c1-2-18(16-9-10-16)12-14-5-3-13(4-6-14)11-17-15-7-8-15/h3-6,15-17H,2,7-12H2,1H3
InChIKeyCZVOTGCVJFULNW-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine
CID 62422304
N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555832
N-ethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346888
N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421784
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346884
N-[[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62420492
N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
CID 43608548
N'-[[4-[(cyclopropylamino)methyl]phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997477
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethylcyclopentanamine
CID 62422317
[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 28680147

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 62421837) is N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine is CCN(Cc1ccc(CNC2CC2)cc1)C1CC1.
What is the InChIKey of N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is CZVOTGCVJFULNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-18(16-9-10-16)12-14-5-3-13(4-6-14)11-17-15-7-8-15/h3-6,15-17H,2,7-12H2,1H3.
What are the key properties of N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 244.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62421837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).