(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride

C10H24FN — CID 176934799

IUPAC(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
SMILESCC[C@@H](C)CCN(C)C(C)C.F
InChIInChI=1S/C10H23N.FH/c1-6-10(4)7-8-11(5)9(2)3;/h9-10H,6-8H2,1-5H3;1H/t10-;/m1./s1
InChIKeyOVRNUAWJNYZVQG-HNCPQSOCSA-N
MW177.31 g/mol
LogP2.92
Rot. Bonds5

About (3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride

(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride (PubChem CID 176934799) has the molecular formula C10H24FN and a molecular weight of 177.31 g/mol. Its IUPAC name is (3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride.

Molecular Properties

Compound Name(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
PubChem CID176934799
Molecular FormulaC10H24FN
Molecular Weight177.31 g/mol
Exact Mass177.19
IUPAC Name(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
SMILESCC[C@@H](C)CCN(C)C(C)C.F
InChIInChI=1S/C10H23N.FH/c1-6-10(4)7-8-11(5)9(2)3;/h9-10H,6-8H2,1-5H3;1H/t10-;/m1./s1
InChIKeyOVRNUAWJNYZVQG-HNCPQSOCSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine
CID 166139395
6-ethyl-N,3,7-trimethyl-N-propan-2-yloctan-1-amine
CID 174299611
(3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 158122452
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
N-ethyl-N,5-dimethylheptan-2-amine
CID 91289323
N,3-dimethyl-N-prop-1-ynylpentan-1-amine
CID 176700038
propane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143725559
4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 143734656
N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
N,N-dimethylmethanamine;3-methylheptane
CID 143169890

Frequently Asked Questions

What is the IUPAC name of (3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride?
The IUPAC name of (3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride (CID 176934799) is (3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride.
What is the SMILES notation for (3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride?
The canonical SMILES for (3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride is CC[C@@H](C)CCN(C)C(C)C.F.
What is the InChIKey of (3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride?
The InChIKey is OVRNUAWJNYZVQG-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H23N.FH/c1-6-10(4)7-8-11(5)9(2)3;/h9-10H,6-8H2,1-5H3;1H/t10-;/m1./s1.
What are the key properties of (3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride?
(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride has a molecular weight of 177.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride is sourced from PubChem (CID 176934799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).