N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C11H25FN2 — CID 81106048

IUPACN-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCCCF)C(C)C
InChIInChI=1S/C11H25FN2/c1-10(2)14(11(3)4)9-8-13-7-5-6-12/h10-11,13H,5-9H2,1-4H3
InChIKeySSVWKJJHNYHPKM-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.05
Rot. Bonds8

About N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 81106048) has the molecular formula C11H25FN2 and a molecular weight of 204.33 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID81106048
Molecular FormulaC11H25FN2
Molecular Weight204.33 g/mol
Exact Mass204.20
IUPAC NameN-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCCCF)C(C)C
InChIInChI=1S/C11H25FN2/c1-10(2)14(11(3)4)9-8-13-7-5-6-12/h10-11,13H,5-9H2,1-4H3
InChIKeySSVWKJJHNYHPKM-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Ethanediamine, N1,N1-bis(1-methylethyl)-
CID 8459
N,N'-Diisopropylethylenediamine
CID 77628
1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
N-(2-aminopropyl)propane-1,2-diamine
CID 96199
Diethylenetriamine, 1,7-bis(2'-propyl)-
CID 23423558
N,N,N'-Triisopropylethylenediamine
CID 66797
N1,N1-Dimethyl-N3-(1-methylethyl)-1,3-propanediamine
CID 198460
N1,N1-Diethyl-N2-propyl-1,2-ethanediamine
CID 295969
1,2-Ethanediamine, N,N'-bis(1-methylpropyl)-
CID 469901
N-(2-Amino-1-methylethyl)propane-1,2-diamine
CID 3016427
(2-Aminoethyl)(pentan-3-yl)amine
CID 14670812
Tris[2-(isopropylamino)ethyl]amine
CID 15763533

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 81106048) is N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNCCCF)C(C)C.
What is the InChIKey of N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is SSVWKJJHNYHPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25FN2/c1-10(2)14(11(3)4)9-8-13-7-5-6-12/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 204.33 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 81106048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).