N-(dichloromethyl)pentan-1-amine

C6H13Cl2N — CID 88509515

IUPACN-(dichloromethyl)pentan-1-amine
SMILESCCCCCNC(Cl)Cl
InChIInChI=1S/C6H13Cl2N/c1-2-3-4-5-9-6(7)8/h6,9H,2-5H2,1H3
InChIKeyOZXZHUIDVKVZKZ-UHFFFAOYSA-N
MW170.08 g/mol
LogP2.53
Rot. Bonds5

About N-(dichloromethyl)pentan-1-amine

N-(dichloromethyl)pentan-1-amine (PubChem CID 88509515) has the molecular formula C6H13Cl2N and a molecular weight of 170.08 g/mol. Its IUPAC name is N-(dichloromethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(dichloromethyl)pentan-1-amine
PubChem CID88509515
Molecular FormulaC6H13Cl2N
Molecular Weight170.08 g/mol
Exact Mass169.04
IUPAC NameN-(dichloromethyl)pentan-1-amine
SMILESCCCCCNC(Cl)Cl
InChIInChI=1S/C6H13Cl2N/c1-2-3-4-5-9-6(7)8/h6,9H,2-5H2,1H3
InChIKeyOZXZHUIDVKVZKZ-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-ylicosan-1-amine
CID 87246132
N"-octylmethanetriamine
CID 139788026
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
(hexadecylamino)methanediol
CID 139772673
1-N'-pentylethane-1,1-diamine
CID 87708859
N-(1-chlorobutan-2-yl)decan-1-amine
CID 65026505
N-(3-methoxybutan-2-yl)pentan-1-amine
CID 115705771
N-butan-2-yldodecan-1-amine
CID 63489622
1-(hexylamino)propan-1-ol
CID 57070645
1-N'-nonylethane-1,1-diamine
CID 141374358
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710

Frequently Asked Questions

What is the IUPAC name of N-(dichloromethyl)pentan-1-amine?
The IUPAC name of N-(dichloromethyl)pentan-1-amine (CID 88509515) is N-(dichloromethyl)pentan-1-amine.
What is the SMILES notation for N-(dichloromethyl)pentan-1-amine?
The canonical SMILES for N-(dichloromethyl)pentan-1-amine is CCCCCNC(Cl)Cl.
What is the InChIKey of N-(dichloromethyl)pentan-1-amine?
The InChIKey is OZXZHUIDVKVZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl2N/c1-2-3-4-5-9-6(7)8/h6,9H,2-5H2,1H3.
What are the key properties of N-(dichloromethyl)pentan-1-amine?
N-(dichloromethyl)pentan-1-amine has a molecular weight of 170.08 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dichloromethyl)pentan-1-amine is sourced from PubChem (CID 88509515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).