N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine

C11H25NO — CID 114997752

IUPACN,4,4-trimethyl-1-propan-2-yloxypentan-3-amine
SMILESCNC(CCOC(C)C)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(2)13-8-7-10(12-6)11(3,4)5/h9-10,12H,7-8H2,1-6H3
InChIKeyKXNNGTCTXUSWNO-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds5

About N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine

N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine (PubChem CID 114997752) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-propan-2-yloxypentan-3-amine
PubChem CID114997752
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN,4,4-trimethyl-1-propan-2-yloxypentan-3-amine
SMILESCNC(CCOC(C)C)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(2)13-8-7-10(12-6)11(3,4)5/h9-10,12H,7-8H2,1-6H3
InChIKeyKXNNGTCTXUSWNO-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N,2,2-trimethylhexan-3-amine
CID 155282870
N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 62528154
6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine
CID 103181088
N-ethyl-3,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 83139596
3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine
CID 157036014
3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid
CID 83138589
3,5-dimethyl-1-propan-2-yloxyhexane
CID 155609202
2-(methylamino)-4-propan-2-yloxybutanamide
CID 63041361
4-propan-2-yloxybutan-2-ylhydrazine
CID 130964571
1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
CID 62623709
2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81055398
3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 62528171

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine?
The IUPAC name of N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine (CID 114997752) is N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine.
What is the SMILES notation for N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine?
The canonical SMILES for N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine is CNC(CCOC(C)C)C(C)(C)C.
What is the InChIKey of N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine?
The InChIKey is KXNNGTCTXUSWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)13-8-7-10(12-6)11(3,4)5/h9-10,12H,7-8H2,1-6H3.
What are the key properties of N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine?
N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-1-propan-2-yloxypentan-3-amine is sourced from PubChem (CID 114997752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).