N,3,3-trimethyl-5-methylidenehept-6-en-1-amine

C11H21N — CID 155576412

IUPACN,3,3-trimethyl-5-methylidenehept-6-en-1-amine
SMILESC=CC(=C)CC(C)(C)CCNC
InChIInChI=1S/C11H21N/c1-6-10(2)9-11(3,4)7-8-12-5/h6,12H,1-2,7-9H2,3-5H3
InChIKeySCOBFDMMONXOBM-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.75
Rot. Bonds6

About N,3,3-trimethyl-5-methylidenehept-6-en-1-amine

N,3,3-trimethyl-5-methylidenehept-6-en-1-amine (PubChem CID 155576412) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,3,3-trimethyl-5-methylidenehept-6-en-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-5-methylidenehept-6-en-1-amine
PubChem CID155576412
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,3,3-trimethyl-5-methylidenehept-6-en-1-amine
SMILESC=CC(=C)CC(C)(C)CCNC
InChIInChI=1S/C11H21N/c1-6-10(2)9-11(3,4)7-8-12-5/h6,12H,1-2,7-9H2,3-5H3
InChIKeySCOBFDMMONXOBM-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,3,3,5-tetramethylhex-5-en-1-amine
CID 81023086
7,7-dimethyl-4,9-dimethylideneundec-10-en-2-amine
CID 146613577
N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide
CID 142235981
6,6-dimethyl-3-methylidenehept-1-ene
CID 153290519
2-methyl-5-methylidenehept-6-en-2-amine
CID 126489894
N-tert-butyl-2-methylidenebut-3-en-1-amine
CID 123407105
(2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane
CID 126670461
11,11,15-trimethyl-3-methylidenehexadec-1-ene
CID 176767312
N,3,3-trimethyldecan-1-amine
CID 81022297
N,3,3-trimethylpentadecan-1-amine
CID 81023479
2,2-dimethyl-4-(methylamino)butanenitrile
CID 65247172
N,N',3,3,6,6-hexamethyloctanediamide
CID 54555561

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-5-methylidenehept-6-en-1-amine?
The IUPAC name of N,3,3-trimethyl-5-methylidenehept-6-en-1-amine (CID 155576412) is N,3,3-trimethyl-5-methylidenehept-6-en-1-amine.
What is the SMILES notation for N,3,3-trimethyl-5-methylidenehept-6-en-1-amine?
The canonical SMILES for N,3,3-trimethyl-5-methylidenehept-6-en-1-amine is C=CC(=C)CC(C)(C)CCNC.
What is the InChIKey of N,3,3-trimethyl-5-methylidenehept-6-en-1-amine?
The InChIKey is SCOBFDMMONXOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6-10(2)9-11(3,4)7-8-12-5/h6,12H,1-2,7-9H2,3-5H3.
What are the key properties of N,3,3-trimethyl-5-methylidenehept-6-en-1-amine?
N,3,3-trimethyl-5-methylidenehept-6-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-5-methylidenehept-6-en-1-amine is sourced from PubChem (CID 155576412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).