N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine

C14H26N2 — CID 106631714

IUPACN-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESC=C(C)CCN(CC1CCCCN1)C1CC1
InChIInChI=1S/C14H26N2/c1-12(2)8-10-16(14-6-7-14)11-13-5-3-4-9-15-13/h13-15H,1,3-11H2,2H3
InChIKeyDILZBDGQPKGNMP-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.56
Rot. Bonds6

About N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine

N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine (PubChem CID 106631714) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
PubChem CID106631714
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESC=C(C)CCN(CC1CCCCN1)C1CC1
InChIInChI=1S/C14H26N2/c1-12(2)8-10-16(14-6-7-14)11-13-5-3-4-9-15-13/h13-15H,1,3-11H2,2H3
InChIKeyDILZBDGQPKGNMP-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.56
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'-cyclopropyl-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106631586
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-N,N-dimethylbutanamide
CID 106631546
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621678
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-(cyclobutylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621852
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
N-but-2-ynyl-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631638
3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide
CID 104979134
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274
N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979258
N-[3-(oxolan-2-yl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631701

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine (CID 106631714) is N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine is C=C(C)CCN(CC1CCCCN1)C1CC1.
What is the InChIKey of N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The InChIKey is DILZBDGQPKGNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12(2)8-10-16(14-6-7-14)11-13-5-3-4-9-15-13/h13-15H,1,3-11H2,2H3.
What are the key properties of N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine has a molecular weight of 222.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106631714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).