13,13-dimethyl-11-methylidenetetradecan-6-amine

C17H35N — CID 167044222

IUPAC13,13-dimethyl-11-methylidenetetradecan-6-amine
SMILESC=C(CCCCC(N)CCCCC)CC(C)(C)C
InChIInChI=1S/C17H35N/c1-6-7-8-12-16(18)13-10-9-11-15(2)14-17(3,4)5/h16H,2,6-14,18H2,1,3-5H3
InChIKeyJLLWZTVMMJGETF-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.45
Rot. Bonds10

About 13,13-dimethyl-11-methylidenetetradecan-6-amine

13,13-dimethyl-11-methylidenetetradecan-6-amine (PubChem CID 167044222) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 13,13-dimethyl-11-methylidenetetradecan-6-amine.

Molecular Properties

Compound Name13,13-dimethyl-11-methylidenetetradecan-6-amine
PubChem CID167044222
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name13,13-dimethyl-11-methylidenetetradecan-6-amine
SMILESC=C(CCCCC(N)CCCCC)CC(C)(C)C
InChIInChI=1S/C17H35N/c1-6-7-8-12-16(18)13-10-9-11-15(2)14-17(3,4)5/h16H,2,6-14,18H2,1,3-5H3
InChIKeyJLLWZTVMMJGETF-UHFFFAOYSA-N
XLogP5.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

17-methylidenetricosan-9-amine
CID 129036120
nonapentacontan-30-amine
CID 118952570
pentacosan-7-amine
CID 88938409
henicosane-8,14-diamine;dihydrochloride
CID 170909168
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
octadecan-9-amine;hydrochloride
CID 19002510
9-aminopentadecanoic acid
CID 87304604
19-methylideneheptatriacontane;titanium
CID 174477367
tridecan-3-amine
CID 19435959
(4R)-tridecan-4-amine
CID 150614684
15,15-dimethylnonacosan-10-amine
CID 175397632

Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-11-methylidenetetradecan-6-amine?
The IUPAC name of 13,13-dimethyl-11-methylidenetetradecan-6-amine (CID 167044222) is 13,13-dimethyl-11-methylidenetetradecan-6-amine.
What is the SMILES notation for 13,13-dimethyl-11-methylidenetetradecan-6-amine?
The canonical SMILES for 13,13-dimethyl-11-methylidenetetradecan-6-amine is C=C(CCCCC(N)CCCCC)CC(C)(C)C.
What is the InChIKey of 13,13-dimethyl-11-methylidenetetradecan-6-amine?
The InChIKey is JLLWZTVMMJGETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-7-8-12-16(18)13-10-9-11-15(2)14-17(3,4)5/h16H,2,6-14,18H2,1,3-5H3.
What are the key properties of 13,13-dimethyl-11-methylidenetetradecan-6-amine?
13,13-dimethyl-11-methylidenetetradecan-6-amine has a molecular weight of 253.47 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyl-11-methylidenetetradecan-6-amine is sourced from PubChem (CID 167044222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).