(10R)-N,N-dimethylheptacosan-10-amine

C29H61N — CID 134549801

IUPAC(10R)-N,N-dimethylheptacosan-10-amine
SMILESCCCCCCCCCCCCCCCCC[C@@H](CCCCCCCCC)N(C)C
InChIInChI=1S/C29H61N/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-29(30(3)4)27-25-23-21-12-10-8-6-2/h29H,5-28H2,1-4H3/t29-/m1/s1
InChIKeyFZZRQGRMBHTCSF-GDLZYMKVSA-N
MW423.81 g/mol
LogP10.32
Rot. Bonds25

About (10R)-N,N-dimethylheptacosan-10-amine

(10R)-N,N-dimethylheptacosan-10-amine (PubChem CID 134549801) has the molecular formula C29H61N and a molecular weight of 423.81 g/mol. Its IUPAC name is (10R)-N,N-dimethylheptacosan-10-amine.

Molecular Properties

Compound Name(10R)-N,N-dimethylheptacosan-10-amine
PubChem CID134549801
Molecular FormulaC29H61N
Molecular Weight423.81 g/mol
Exact Mass423.48
IUPAC Name(10R)-N,N-dimethylheptacosan-10-amine
SMILESCCCCCCCCCCCCCCCCC[C@@H](CCCCCCCCC)N(C)C
InChIInChI=1S/C29H61N/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-29(30(3)4)27-25-23-21-12-10-8-6-2/h29H,5-28H2,1-4H3/t29-/m1/s1
InChIKeyFZZRQGRMBHTCSF-GDLZYMKVSA-N
XLogP10.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.81
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397
1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide
CID 173305145
N,N-dimethyltetracos-17-en-9-amine
CID 123150200
16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide
CID 175431925
(Z)-N,N-dimethyltetratriacont-25-en-17-amine
CID 87229276
(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
CID 126711357
N,N-dimethyldotriacont-24-en-10-amine
CID 175230423
1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
CID 91061045
(25Z)-N,N-dimethylhentriaconta-22,25-dien-10-amine
CID 175715549

Frequently Asked Questions

What is the IUPAC name of (10R)-N,N-dimethylheptacosan-10-amine?
The IUPAC name of (10R)-N,N-dimethylheptacosan-10-amine (CID 134549801) is (10R)-N,N-dimethylheptacosan-10-amine.
What is the SMILES notation for (10R)-N,N-dimethylheptacosan-10-amine?
The canonical SMILES for (10R)-N,N-dimethylheptacosan-10-amine is CCCCCCCCCCCCCCCCC[C@@H](CCCCCCCCC)N(C)C.
What is the InChIKey of (10R)-N,N-dimethylheptacosan-10-amine?
The InChIKey is FZZRQGRMBHTCSF-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H61N/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-29(30(3)4)27-25-23-21-12-10-8-6-2/h29H,5-28H2,1-4H3/t29-/m1/s1.
What are the key properties of (10R)-N,N-dimethylheptacosan-10-amine?
(10R)-N,N-dimethylheptacosan-10-amine has a molecular weight of 423.81 g/mol, XLogP of 10.32, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-N,N-dimethylheptacosan-10-amine is sourced from PubChem (CID 134549801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).