N-(2-methylpropoxy)hept-6-en-1-amine

C11H23NO — CID 107007042

IUPACN-(2-methylpropoxy)hept-6-en-1-amine
SMILESC=CCCCCCNOCC(C)C
InChIInChI=1S/C11H23NO/c1-4-5-6-7-8-9-12-13-10-11(2)3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyCXWUIEUMDGHGCE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.91
Rot. Bonds9

About N-(2-methylpropoxy)hept-6-en-1-amine

N-(2-methylpropoxy)hept-6-en-1-amine (PubChem CID 107007042) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2-methylpropoxy)hept-6-en-1-amine.

Molecular Properties

Compound NameN-(2-methylpropoxy)hept-6-en-1-amine
PubChem CID107007042
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2-methylpropoxy)hept-6-en-1-amine
SMILESC=CCCCCCNOCC(C)C
InChIInChI=1S/C11H23NO/c1-4-5-6-7-8-9-12-13-10-11(2)3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyCXWUIEUMDGHGCE-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
3-methoxy-N-(2-methylpropoxy)propan-1-amine
CID 82714387
N-ethenylhept-6-en-1-amine
CID 145124117
N-(2-methylpropoxy)hex-5-en-2-amine
CID 104655833
2-methylpropyl 2-oct-7-enyldec-9-enoate
CID 177270214
5-(hept-6-enylamino)-2-methylpentan-1-ol
CID 106160063
9-(2-non-8-enoxypropoxy)non-1-ene
CID 168985455
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
N-hept-6-enyl-1-methylcyclopentan-1-amine
CID 107006665
5-methyl-N-(2-pent-4-enoxyethyl)hexan-2-amine
CID 79113827

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)hept-6-en-1-amine?
The IUPAC name of N-(2-methylpropoxy)hept-6-en-1-amine (CID 107007042) is N-(2-methylpropoxy)hept-6-en-1-amine.
What is the SMILES notation for N-(2-methylpropoxy)hept-6-en-1-amine?
The canonical SMILES for N-(2-methylpropoxy)hept-6-en-1-amine is C=CCCCCCNOCC(C)C.
What is the InChIKey of N-(2-methylpropoxy)hept-6-en-1-amine?
The InChIKey is CXWUIEUMDGHGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-6-7-8-9-12-13-10-11(2)3/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of N-(2-methylpropoxy)hept-6-en-1-amine?
N-(2-methylpropoxy)hept-6-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)hept-6-en-1-amine is sourced from PubChem (CID 107007042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).