(Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine

C10H26N4 — CID 42627226

IUPAC(Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine
SMILESCCCCN/C=C\CN.NCCCN
InChIInChI=1S/C7H16N2.C3H10N2/c1-2-3-6-9-7-4-5-8;4-2-1-3-5/h4,7,9H,2-3,5-6,8H2,1H3;1-5H2/b7-4-;
InChIKeyWKTUAAGNQMFAKY-ZULQGGHCSA-N
MW202.35 g/mol
LogP0.14
Rot. Bonds7

About (Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine

(Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine (PubChem CID 42627226) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is (Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine.

Molecular Properties

Compound Name(Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine
PubChem CID42627226
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC Name(Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine
SMILESCCCCN/C=C\CN.NCCCN
InChIInChI=1S/C7H16N2.C3H10N2/c1-2-3-6-9-7-4-5-8;4-2-1-3-5/h4,7,9H,2-3,5-6,8H2,1H3;1-5H2/b7-4-;
InChIKeyWKTUAAGNQMFAKY-ZULQGGHCSA-N
XLogP0.14
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine?
The IUPAC name of (Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine (CID 42627226) is (Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine.
What is the SMILES notation for (Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine?
The canonical SMILES for (Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine is CCCCN/C=C\CN.NCCCN.
What is the InChIKey of (Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine?
The InChIKey is WKTUAAGNQMFAKY-ZULQGGHCSA-N. The full InChI is InChI=1S/C7H16N2.C3H10N2/c1-2-3-6-9-7-4-5-8;4-2-1-3-5/h4,7,9H,2-3,5-6,8H2,1H3;1-5H2/b7-4-;.
What are the key properties of (Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine?
(Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine has a molecular weight of 202.35 g/mol, XLogP of 0.14, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butylprop-1-ene-1,3-diamine;propane-1,3-diamine is sourced from PubChem (CID 42627226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).