N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine

C11H23ClN2 — CID 115263731

IUPACN-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
SMILESCN1CCCC(C(C)(C)CNCCl)C1
InChIInChI=1S/C11H23ClN2/c1-11(2,8-13-9-12)10-5-4-6-14(3)7-10/h10,13H,4-9H2,1-3H3
InChIKeyPCNSYNKCGDAPPP-UHFFFAOYSA-N
MW218.77 g/mol
LogP2.14
Rot. Bonds4

About N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine

N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine (PubChem CID 115263731) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
PubChem CID115263731
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC NameN-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
SMILESCN1CCCC(C(C)(C)CNCCl)C1
InChIInChI=1S/C11H23ClN2/c1-11(2,8-13-9-12)10-5-4-6-14(3)7-10/h10,13H,4-9H2,1-3H3
InChIKeyPCNSYNKCGDAPPP-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115244469
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115191508
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]propanoic acid
CID 115219677
2-methyl-2-(1-methylpiperidin-3-yl)propane-1-thiol
CID 116866531
[2-methyl-2-(1-methylpiperidin-3-yl)propyl]carbamothioic S-acid
CID 115170602
4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine
CID 115149957
(E)-4-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]but-2-enoic acid
CID 115237429
2-methyl-2-(1-methylpiperidin-3-yl)-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238229
2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115221764
2-hydroxy-2-methyl-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
CID 115179064
3-methyl-2-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]butan-1-ol
CID 115137861
2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde
CID 115223620

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine?
The IUPAC name of N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine (CID 115263731) is N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine.
What is the SMILES notation for N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine?
The canonical SMILES for N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine is CN1CCCC(C(C)(C)CNCCl)C1.
What is the InChIKey of N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine?
The InChIKey is PCNSYNKCGDAPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2/c1-11(2,8-13-9-12)10-5-4-6-14(3)7-10/h10,13H,4-9H2,1-3H3.
What are the key properties of N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine?
N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine has a molecular weight of 218.77 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine is sourced from PubChem (CID 115263731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).