1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine

C14H26N2 — CID 79413811

IUPAC1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine
SMILESC=CCN(CC=C)C(C)C(C)CNC1CC1
InChIInChI=1S/C14H26N2/c1-5-9-16(10-6-2)13(4)12(3)11-15-14-7-8-14/h5-6,12-15H,1-2,7-11H2,3-4H3
InChIKeySXQKHZBXTMNESL-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.44
Rot. Bonds9

About 1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine

1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine (PubChem CID 79413811) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine
PubChem CID79413811
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine
SMILESC=CCN(CC=C)C(C)C(C)CNC1CC1
InChIInChI=1S/C14H26N2/c1-5-9-16(10-6-2)13(4)12(3)11-15-14-7-8-14/h5-6,12-15H,1-2,7-11H2,3-4H3
InChIKeySXQKHZBXTMNESL-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine (CID 79413811) is 1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine is C=CCN(CC=C)C(C)C(C)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine?
The InChIKey is SXQKHZBXTMNESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-9-16(10-6-2)13(4)12(3)11-15-14-7-8-14/h5-6,12-15H,1-2,7-11H2,3-4H3.
What are the key properties of 1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine?
1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine has a molecular weight of 222.38 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine is sourced from PubChem (CID 79413811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).