1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine

C11H20N2 — CID 116652552

IUPAC1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine
SMILESCC#CCCN(C)C(CN)C1CC1
InChIInChI=1S/C11H20N2/c1-3-4-5-8-13(2)11(9-12)10-6-7-10/h10-11H,5-9,12H2,1-2H3
InChIKeyCXZNAPRSDNZWIG-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.07
Rot. Bonds5

About 1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine

1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine (PubChem CID 116652552) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine
PubChem CID116652552
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine
SMILESCC#CCCN(C)C(CN)C1CC1
InChIInChI=1S/C11H20N2/c1-3-4-5-8-13(2)11(9-12)10-6-7-10/h10-11H,5-9,12H2,1-2H3
InChIKeyCXZNAPRSDNZWIG-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine (CID 116652552) is 1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine is CC#CCCN(C)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine?
The InChIKey is CXZNAPRSDNZWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-4-5-8-13(2)11(9-12)10-6-7-10/h10-11H,5-9,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine is sourced from PubChem (CID 116652552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).