N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine

C10H20N2 — CID 105416547

IUPACN,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine
SMILESC=CCNCC1(N(C)C)CCC1
InChIInChI=1S/C10H20N2/c1-4-8-11-9-10(12(2)3)6-5-7-10/h4,11H,1,5-9H2,2-3H3
InChIKeyTWUBRSYTBIATHV-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds5

About N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine

N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine (PubChem CID 105416547) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine
PubChem CID105416547
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine
SMILESC=CCNCC1(N(C)C)CCC1
InChIInChI=1S/C10H20N2/c1-4-8-11-9-10(12(2)3)6-5-7-10/h4,11H,1,5-9H2,2-3H3
InChIKeyTWUBRSYTBIATHV-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine (CID 105416547) is N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine is C=CCNCC1(N(C)C)CCC1.
What is the InChIKey of N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine?
The InChIKey is TWUBRSYTBIATHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-8-11-9-10(12(2)3)6-5-7-10/h4,11H,1,5-9H2,2-3H3.
What are the key properties of N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(prop-2-enylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 105416547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).