(3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol

C9H19NO — CID 172612604

IUPAC(3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol
SMILESC=C[C@H](O)[C@@H](C)CCCNC
InChIInChI=1S/C9H19NO/c1-4-9(11)8(2)6-5-7-10-3/h4,8-11H,1,5-7H2,2-3H3/t8-,9-/m0/s1
InChIKeyFHWCGCNSPNXOTL-IUCAKERBSA-N
MW157.26 g/mol
LogP1.17
Rot. Bonds6

About (3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol

(3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol (PubChem CID 172612604) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol
PubChem CID172612604
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol
SMILESC=C[C@H](O)[C@@H](C)CCCNC
InChIInChI=1S/C9H19NO/c1-4-9(11)8(2)6-5-7-10-3/h4,8-11H,1,5-7H2,2-3H3/t8-,9-/m0/s1
InChIKeyFHWCGCNSPNXOTL-IUCAKERBSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
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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Related Compounds

2-Methyl-1-piperidin-3-ylprop-2-en-1-ol
CID 80559018
8-(Methylamino)oct-1-en-3-ol
CID 88903879
2-Methyl-4-[(pent-4-enylamino)methyl]hexan-1-ol
CID 89126691
5-(Aminomethyl)oct-7-en-2-ol
CID 89155232
6-Methyl-7-(methylamino)hept-1-ene-3,4-diol
CID 90932798
5-Piperidin-4-ylpent-1-en-3-ol
CID 118964334
4-(Methylaminomethyl)cyclohex-2-en-1-ol
CID 123898652
4-[(3-Ethylhex-5-enylamino)methyl]cyclohexan-1-ol
CID 134232751
(3S)-3-ethenyl-7-(methylamino)heptan-2-ol
CID 156107893
3-Methyl-6-(methylamino)hept-6-en-2-ol
CID 166966011
6-Methyl-5-(propan-2-ylamino)hept-1-en-3-ol
CID 171659799
5-(Methylaminomethyl)cyclohex-2-en-1-ol
CID 14737758

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol?
The IUPAC name of (3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol (CID 172612604) is (3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol.
What is the SMILES notation for (3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol?
The canonical SMILES for (3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol is C=C[C@H](O)[C@@H](C)CCCNC.
What is the InChIKey of (3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol?
The InChIKey is FHWCGCNSPNXOTL-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(11)8(2)6-5-7-10-3/h4,8-11H,1,5-7H2,2-3H3/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol?
(3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol is sourced from PubChem (CID 172612604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).