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

C16H26N2 — CID 62421784

IUPACN-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCCN(CC)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2/c1-3-11-18(4-2)13-15-7-5-14(6-8-15)12-17-16-9-10-16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyLLVDGVREAHNLED-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.17
Rot. Bonds8

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

N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62421784) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID62421784
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCCN(CC)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2/c1-3-11-18(4-2)13-15-7-5-14(6-8-15)12-17-16-9-10-16/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyLLVDGVREAHNLED-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[[4-[(cyclopropylamino)methyl]phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997477
N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102769498
N-[[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62420492
N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
CID 43608548
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 28680147
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62461060
N-[[2-[[ethyl(propyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62421778
N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421837
N-[[4-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 80679484
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
N-[[3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454527
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421419

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 62421784) is N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine is CCCN(CC)Cc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is LLVDGVREAHNLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-11-18(4-2)13-15-7-5-14(6-8-15)12-17-16-9-10-16/h5-8,16-17H,3-4,9-13H2,1-2H3.
What are the key properties of N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 246.40 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62421784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).