5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine

C14H30Cl2N2 — CID 57237258

IUPAC5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine
SMILESCCN(CC)C(CCl)CCCN(CCCl)C(C)C
InChIInChI=1S/C14H30Cl2N2/c1-5-17(6-2)14(12-16)8-7-10-18(11-9-15)13(3)4/h13-14H,5-12H2,1-4H3
InChIKeyBVEXHMGHSUXWLL-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.66
Rot. Bonds11

About 5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine

5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine (PubChem CID 57237258) has the molecular formula C14H30Cl2N2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine
PubChem CID57237258
Molecular FormulaC14H30Cl2N2
Molecular Weight297.31 g/mol
Exact Mass296.18
IUPAC Name5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine
SMILESCCN(CC)C(CCl)CCCN(CCCl)C(C)C
InChIInChI=1S/C14H30Cl2N2/c1-5-17(6-2)14(12-16)8-7-10-18(11-9-15)13(3)4/h13-14H,5-12H2,1-4H3
InChIKeyBVEXHMGHSUXWLL-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-ethylpropan-2-amine
CID 13327740
6-chloro-N-propan-2-yl-N-propylhexan-1-amine
CID 62227256
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
N-(2-chloroethyl)-N-(2-propylsulfonylethyl)propan-2-amine
CID 106730904
N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 103413010
N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 112591752
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106730857
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine
CID 83169075

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine?
The IUPAC name of 5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine (CID 57237258) is 5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for 5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine is CCN(CC)C(CCl)CCCN(CCCl)C(C)C.
What is the InChIKey of 5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine?
The InChIKey is BVEXHMGHSUXWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30Cl2N2/c1-5-17(6-2)14(12-16)8-7-10-18(11-9-15)13(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine?
5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine has a molecular weight of 297.31 g/mol, XLogP of 3.66, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 57237258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).