N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine

C14H29N3 — CID 62513271

IUPACN-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCN(C)C(C)(C)CN1CCC(CNC2CC2)C1
InChIInChI=1S/C14H29N3/c1-14(2,16(3)4)11-17-8-7-12(10-17)9-15-13-5-6-13/h12-13,15H,5-11H2,1-4H3
InChIKeyHSINCXIUPOKRLH-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds6

About N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 62513271) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID62513271
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCN(C)C(C)(C)CN1CCC(CNC2CC2)C1
InChIInChI=1S/C14H29N3/c1-14(2,16(3)4)11-17-8-7-12(10-17)9-15-13-5-6-13/h12-13,15H,5-11H2,1-4H3
InChIKeyHSINCXIUPOKRLH-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 55081442
4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79731283
N-[[1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513727
N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63243855
N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 60855683
3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 79630442
3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine
CID 79462149
methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate
CID 79631848
N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63965430
N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511911
N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513787
4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol
CID 79354897

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine (CID 62513271) is N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine is CN(C)C(C)(C)CN1CCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is HSINCXIUPOKRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(2,16(3)4)11-17-8-7-12(10-17)9-15-13-5-6-13/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62513271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).