(3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine

C11H24N2 — CID 88995207

IUPAC(3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine
SMILESC=C(CC)[C@@H](N)CCN(CC)CC
InChIInChI=1S/C11H24N2/c1-5-10(4)11(12)8-9-13(6-2)7-3/h11H,4-9,12H2,1-3H3/t11-/m0/s1
InChIKeyBHCODMGRGIHFAD-NSHDSACASA-N
MW184.33 g/mol
LogP2.01
Rot. Bonds7

About (3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine

(3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine (PubChem CID 88995207) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine.

Molecular Properties

Compound Name(3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine
PubChem CID88995207
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine
SMILESC=C(CC)[C@@H](N)CCN(CC)CC
InChIInChI=1S/C11H24N2/c1-5-10(4)11(12)8-9-13(6-2)7-3/h11H,4-9,12H2,1-3H3/t11-/m0/s1
InChIKeyBHCODMGRGIHFAD-NSHDSACASA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.01
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 (3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine?
The IUPAC name of (3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine (CID 88995207) is (3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine.
What is the SMILES notation for (3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine?
The canonical SMILES for (3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine is C=C(CC)[C@@H](N)CCN(CC)CC.
What is the InChIKey of (3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine?
The InChIKey is BHCODMGRGIHFAD-NSHDSACASA-N. The full InChI is InChI=1S/C11H24N2/c1-5-10(4)11(12)8-9-13(6-2)7-3/h11H,4-9,12H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine?
(3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine is sourced from PubChem (CID 88995207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).