N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride

C12H22ClNO — CID 115616067

IUPACN-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride
SMILESCCC(NCc1ccco1)C(C)(C)C.Cl
InChIInChI=1S/C12H21NO.ClH/c1-5-11(12(2,3)4)13-9-10-7-6-8-14-10;/h6-8,11,13H,5,9H2,1-4H3;1H
InChIKeyHFTQIFBUQNESEZ-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.62
Rot. Bonds4

About N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride

N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride (PubChem CID 115616067) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride
PubChem CID115616067
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride
SMILESCCC(NCc1ccco1)C(C)(C)C.Cl
InChIInChI=1S/C12H21NO.ClH/c1-5-11(12(2,3)4)13-9-10-7-6-8-14-10;/h6-8,11,13H,5,9H2,1-4H3;1H
InChIKeyHFTQIFBUQNESEZ-UHFFFAOYSA-N
XLogP3.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
2-(furan-2-ylmethylamino)butan-1-ol
CID 4722612
1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
CID 103271155
3-(furan-2-ylmethylamino)-4-methylpentan-1-ol
CID 83818885
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-(furan-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine;hydrochloride
CID 115671366
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
3-(furan-2-ylmethylamino)-3-methylbutan-2-ol
CID 115866780

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride (CID 115616067) is N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride is CCC(NCc1ccco1)C(C)(C)C.Cl.
What is the InChIKey of N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride?
The InChIKey is HFTQIFBUQNESEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.ClH/c1-5-11(12(2,3)4)13-9-10-7-6-8-14-10;/h6-8,11,13H,5,9H2,1-4H3;1H.
What are the key properties of N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride?
N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride has a molecular weight of 231.77 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride is sourced from PubChem (CID 115616067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).