2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol

C10H22N2O — CID 88557326

IUPAC2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol
SMILESC=CC[C@@H](NC(O)C(C)N)C(C)C
InChIInChI=1S/C10H22N2O/c1-5-6-9(7(2)3)12-10(13)8(4)11/h5,7-10,12-13H,1,6,11H2,2-4H3/t8?,9-,10?/m1/s1
InChIKeyBQEXIFJHDMBPKG-HWOCKDDLSA-N
MW186.30 g/mol
LogP0.84
Rot. Bonds6

About 2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol

2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol (PubChem CID 88557326) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol
PubChem CID88557326
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol
SMILESC=CC[C@@H](NC(O)C(C)N)C(C)C
InChIInChI=1S/C10H22N2O/c1-5-6-9(7(2)3)12-10(13)8(4)11/h5,7-10,12-13H,1,6,11H2,2-4H3/t8?,9-,10?/m1/s1
InChIKeyBQEXIFJHDMBPKG-HWOCKDDLSA-N
XLogP0.84
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol?
The IUPAC name of 2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol (CID 88557326) is 2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol.
What is the SMILES notation for 2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol?
The canonical SMILES for 2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol is C=CC[C@@H](NC(O)C(C)N)C(C)C.
What is the InChIKey of 2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol?
The InChIKey is BQEXIFJHDMBPKG-HWOCKDDLSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-6-9(7(2)3)12-10(13)8(4)11/h5,7-10,12-13H,1,6,11H2,2-4H3/t8?,9-,10?/m1/s1.
What are the key properties of 2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol?
2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol is sourced from PubChem (CID 88557326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).