2-chloro-N,N-dimethylnonan-1-amine;hydrochloride

C11H25Cl2N — CID 174462199

IUPAC2-chloro-N,N-dimethylnonan-1-amine;hydrochloride
SMILESCCCCCCCC(Cl)CN(C)C.Cl
InChIInChI=1S/C11H24ClN.ClH/c1-4-5-6-7-8-9-11(12)10-13(2)3;/h11H,4-10H2,1-3H3;1H
InChIKeyPTMSIFVZOLJQCM-UHFFFAOYSA-N
MW242.23 g/mol
LogP3.94
Rot. Bonds8

About 2-chloro-N,N-dimethylnonan-1-amine;hydrochloride

2-chloro-N,N-dimethylnonan-1-amine;hydrochloride (PubChem CID 174462199) has the molecular formula C11H25Cl2N and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-chloro-N,N-dimethylnonan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-N,N-dimethylnonan-1-amine;hydrochloride
PubChem CID174462199
Molecular FormulaC11H25Cl2N
Molecular Weight242.23 g/mol
Exact Mass241.14
IUPAC Name2-chloro-N,N-dimethylnonan-1-amine;hydrochloride
SMILESCCCCCCCC(Cl)CN(C)C.Cl
InChIInChI=1S/C11H24ClN.ClH/c1-4-5-6-7-8-9-11(12)10-13(2)3;/h11H,4-10H2,1-3H3;1H
InChIKeyPTMSIFVZOLJQCM-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

17-chlorotritriacontane
CID 87852962
N,N-dimethyl-2-octyldodecan-1-amine
CID 21291112
N,N-dimethyl-2-nonylhenicosan-1-amine
CID 175192311
3-chlorohenicosane
CID 87067964
4-chloropentadecane
CID 63459834
3-chlorohexadecane
CID 63459281
4-chlorotridecane
CID 63460920
N,N,2-trimethyltridecan-1-amine
CID 90750057
(2S)-1,2-dichlorododecane
CID 98052710
9-chlorohexacosane;N-methylmethanamine
CID 122613288
12-chlorooctacosane;N-methylmethanamine
CID 122611467
2-ethyl-N,N-dimethylundecan-1-amine
CID 87794341

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethylnonan-1-amine;hydrochloride?
The IUPAC name of 2-chloro-N,N-dimethylnonan-1-amine;hydrochloride (CID 174462199) is 2-chloro-N,N-dimethylnonan-1-amine;hydrochloride.
What is the SMILES notation for 2-chloro-N,N-dimethylnonan-1-amine;hydrochloride?
The canonical SMILES for 2-chloro-N,N-dimethylnonan-1-amine;hydrochloride is CCCCCCCC(Cl)CN(C)C.Cl.
What is the InChIKey of 2-chloro-N,N-dimethylnonan-1-amine;hydrochloride?
The InChIKey is PTMSIFVZOLJQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClN.ClH/c1-4-5-6-7-8-9-11(12)10-13(2)3;/h11H,4-10H2,1-3H3;1H.
What are the key properties of 2-chloro-N,N-dimethylnonan-1-amine;hydrochloride?
2-chloro-N,N-dimethylnonan-1-amine;hydrochloride has a molecular weight of 242.23 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethylnonan-1-amine;hydrochloride is sourced from PubChem (CID 174462199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).