1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine

C12H26N2 — CID 82854057

IUPAC1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine
SMILESC=CCN(CCCCC(C)N)C(C)C
InChIInChI=1S/C12H26N2/c1-5-9-14(11(2)3)10-7-6-8-12(4)13/h5,11-12H,1,6-10,13H2,2-4H3
InChIKeyFFUFMLJWKYPOFQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.40
Rot. Bonds8

About 1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine

1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine (PubChem CID 82854057) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine.

Molecular Properties

Compound Name1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine
PubChem CID82854057
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine
SMILESC=CCN(CCCCC(C)N)C(C)C
InChIInChI=1S/C12H26N2/c1-5-9-14(11(2)3)10-7-6-8-12(4)13/h5,11-12H,1,6-10,13H2,2-4H3
InChIKeyFFUFMLJWKYPOFQ-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.40
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 1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine?
The IUPAC name of 1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine (CID 82854057) is 1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine.
What is the SMILES notation for 1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine?
The canonical SMILES for 1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine is C=CCN(CCCCC(C)N)C(C)C.
What is the InChIKey of 1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine?
The InChIKey is FFUFMLJWKYPOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-9-14(11(2)3)10-7-6-8-12(4)13/h5,11-12H,1,6-10,13H2,2-4H3.
What are the key properties of 1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine?
1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propan-2-yl-1-N-prop-2-enylhexane-1,5-diamine is sourced from PubChem (CID 82854057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).