(4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol

C10H20N2O — CID 89298467

IUPAC(4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol
SMILESC=C(NC1CC1)C(O)[C@@H](N)CCC
InChIInChI=1S/C10H20N2O/c1-3-4-9(11)10(13)7(2)12-8-5-6-8/h8-10,12-13H,2-6,11H2,1H3/t9-,10?/m0/s1
InChIKeyJHLLPCBLMKBJNT-RGURZIINSA-N
MW184.28 g/mol
LogP0.74
Rot. Bonds6

About (4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol

(4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol (PubChem CID 89298467) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol.

Molecular Properties

Compound Name(4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol
PubChem CID89298467
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol
SMILESC=C(NC1CC1)C(O)[C@@H](N)CCC
InChIInChI=1S/C10H20N2O/c1-3-4-9(11)10(13)7(2)12-8-5-6-8/h8-10,12-13H,2-6,11H2,1H3/t9-,10?/m0/s1
InChIKeyJHLLPCBLMKBJNT-RGURZIINSA-N
XLogP0.74
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol?
The IUPAC name of (4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol (CID 89298467) is (4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol.
What is the SMILES notation for (4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol?
The canonical SMILES for (4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol is C=C(NC1CC1)C(O)[C@@H](N)CCC.
What is the InChIKey of (4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol?
The InChIKey is JHLLPCBLMKBJNT-RGURZIINSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-9(11)10(13)7(2)12-8-5-6-8/h8-10,12-13H,2-6,11H2,1H3/t9-,10?/m0/s1.
What are the key properties of (4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol?
(4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol has a molecular weight of 184.28 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-2-(cyclopropylamino)hept-1-en-3-ol is sourced from PubChem (CID 89298467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).