N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine

C17H26N2 — CID 105348285

IUPACN-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESC=C(C)CN(C)Cc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C17H26N2/c1-14(2)12-19(3)13-16-6-4-15(5-7-16)10-11-18-17-8-9-17/h4-7,17-18H,1,8-13H2,2-3H3
InChIKeyCDAXSAHILSUNEJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.99
Rot. Bonds8

About N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine

N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 105348285) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine
PubChem CID105348285
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESC=C(C)CN(C)Cc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C17H26N2/c1-14(2)12-19(3)13-16-6-4-15(5-7-16)10-11-18-17-8-9-17/h4-7,17-18H,1,8-13H2,2-3H3
InChIKeyCDAXSAHILSUNEJ-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105347883
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105348031
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine
CID 105347923
4-[2-[(4-ethylcyclohexyl)amino]ethyl]phenol
CID 61238876
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207125
N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine
CID 98014943
N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 107402138
N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine
CID 105351121
4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 115149551

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine (CID 105348285) is N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine is C=C(C)CN(C)Cc1ccc(CCNC2CC2)cc1.
What is the InChIKey of N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is CDAXSAHILSUNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14(2)12-19(3)13-16-6-4-15(5-7-16)10-11-18-17-8-9-17/h4-7,17-18H,1,8-13H2,2-3H3.
What are the key properties of N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 105348285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).