3-[(hept-6-enylamino)methyl]hexan-1-ol

C14H29NO — CID 106115194

IUPAC3-[(hept-6-enylamino)methyl]hexan-1-ol
SMILESC=CCCCCCNCC(CCC)CCO
InChIInChI=1S/C14H29NO/c1-3-5-6-7-8-11-15-13-14(9-4-2)10-12-16/h3,14-16H,1,4-13H2,2H3
InChIKeyVESLWJIPFOZCSW-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.12
Rot. Bonds12

About 3-[(hept-6-enylamino)methyl]hexan-1-ol

3-[(hept-6-enylamino)methyl]hexan-1-ol (PubChem CID 106115194) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[(hept-6-enylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(hept-6-enylamino)methyl]hexan-1-ol
PubChem CID106115194
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[(hept-6-enylamino)methyl]hexan-1-ol
SMILESC=CCCCCCNCC(CCC)CCO
InChIInChI=1S/C14H29NO/c1-3-5-6-7-8-11-15-13-14(9-4-2)10-12-16/h3,14-16H,1,4-13H2,2H3
InChIKeyVESLWJIPFOZCSW-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.12
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

N-hexyl-2-propylhex-5-en-1-amine
CID 139309941
3-[(4-methoxybutylamino)methyl]hexan-1-ol
CID 106115290
3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol
CID 106115414
N-propylnon-8-en-1-amine
CID 107010151
9-propyldodec-1-ene
CID 174048054
5-(hept-6-enylamino)-2-methylpentan-1-ol
CID 106160063
N-pent-4-enyloctan-1-amine
CID 79006791
5-(pent-4-enylamino)pentan-1-ol
CID 107317245
N-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]acetamide
CID 106115320
dec-1-ene;ethane-1,2-diol
CID 87306411
N-octadec-17-enyloctadec-9-en-1-amine
CID 123898051
N,2-dipropylpentan-1-amine
CID 62530512

Frequently Asked Questions

What is the IUPAC name of 3-[(hept-6-enylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(hept-6-enylamino)methyl]hexan-1-ol (CID 106115194) is 3-[(hept-6-enylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(hept-6-enylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(hept-6-enylamino)methyl]hexan-1-ol is C=CCCCCCNCC(CCC)CCO.
What is the InChIKey of 3-[(hept-6-enylamino)methyl]hexan-1-ol?
The InChIKey is VESLWJIPFOZCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-6-7-8-11-15-13-14(9-4-2)10-12-16/h3,14-16H,1,4-13H2,2H3.
What are the key properties of 3-[(hept-6-enylamino)methyl]hexan-1-ol?
3-[(hept-6-enylamino)methyl]hexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.12, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(hept-6-enylamino)methyl]hexan-1-ol is sourced from PubChem (CID 106115194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).