1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine

C21H46N2 — CID 91061045

IUPAC1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
SMILESCCCCC(CCCCCCCCCCCCN(C)C)N(C)C
InChIInChI=1S/C21H46N2/c1-6-7-18-21(23(4)5)19-16-14-12-10-8-9-11-13-15-17-20-22(2)3/h21H,6-20H2,1-5H3
InChIKeyMGUPAFPFLOGFSQ-UHFFFAOYSA-N
MW326.61 g/mol
LogP5.96
Rot. Bonds17

About 1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine

1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine (PubChem CID 91061045) has the molecular formula C21H46N2 and a molecular weight of 326.61 g/mol. Its IUPAC name is 1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine.

Molecular Properties

Compound Name1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
PubChem CID91061045
Molecular FormulaC21H46N2
Molecular Weight326.61 g/mol
Exact Mass326.37
IUPAC Name1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
SMILESCCCCC(CCCCCCCCCCCCN(C)C)N(C)C
InChIInChI=1S/C21H46N2/c1-6-7-18-21(23(4)5)19-16-14-12-10-8-9-11-13-15-17-20-22(2)3/h21H,6-20H2,1-5H3
InChIKeyMGUPAFPFLOGFSQ-UHFFFAOYSA-N
XLogP5.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylicosan-5-amine
CID 19862397
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride
CID 172995497
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyloctan-1-amine
CID 161279104
tributyl-[3-(dimethylamino)propyl]phosphanium chloride
CID 19764961
1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine
CID 160750261
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine?
The IUPAC name of 1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine (CID 91061045) is 1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine.
What is the SMILES notation for 1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine?
The canonical SMILES for 1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine is CCCCC(CCCCCCCCCCCCN(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine?
The InChIKey is MGUPAFPFLOGFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N2/c1-6-7-18-21(23(4)5)19-16-14-12-10-8-9-11-13-15-17-20-22(2)3/h21H,6-20H2,1-5H3.
What are the key properties of 1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine?
1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine has a molecular weight of 326.61 g/mol, XLogP of 5.96, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine is sourced from PubChem (CID 91061045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).