N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine

C13H26BrN — CID 65013731

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(CC1(CBr)CC1)C(C)C
InChIInChI=1S/C13H26BrN/c1-4-5-6-9-15(12(2)3)11-13(10-14)7-8-13/h12H,4-11H2,1-3H3
InChIKeyPQYOLVNKXAFJGC-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.06
Rot. Bonds8

About N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine

N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 65013731) has the molecular formula C13H26BrN and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine
PubChem CID65013731
Molecular FormulaC13H26BrN
Molecular Weight276.26 g/mol
Exact Mass275.12
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(CC1(CBr)CC1)C(C)C
InChIInChI=1S/C13H26BrN/c1-4-5-6-9-15(12(2)3)11-13(10-14)7-8-13/h12H,4-11H2,1-3H3
InChIKeyPQYOLVNKXAFJGC-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 65002013
2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol
CID 65013614
3-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]propanenitrile
CID 65013729
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-butylbutan-1-amine
CID 65013664
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62392039
2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol
CID 65002178
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62259286
4-[[pentyl(propan-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 62390838
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine
CID 106981800
N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 104594932

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine (CID 65013731) is N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(CC1(CBr)CC1)C(C)C.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is PQYOLVNKXAFJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrN/c1-4-5-6-9-15(12(2)3)11-13(10-14)7-8-13/h12H,4-11H2,1-3H3.
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine?
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 276.26 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 65013731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).