(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine

C14H24N2 — CID 130522033

IUPAC(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC[C@@H](N)CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C14H24N2/c1-4-14(15)11-16(12(2)3)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,15H2,1-3H3/t14-/m1/s1
InChIKeyYZJPXCKIPLFWJN-CQSZACIVSA-N
MW220.36 g/mol
LogP2.63
Rot. Bonds6

About (2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine

(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 130522033) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID130522033
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC[C@@H](N)CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C14H24N2/c1-4-14(15)11-16(12(2)3)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,15H2,1-3H3/t14-/m1/s1
InChIKeyYZJPXCKIPLFWJN-CQSZACIVSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130758158
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CID 66222971
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
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3-[benzyl(propan-2-yl)amino]-2-methylpropanethioamide
CID 43367666
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide
CID 110284620
N-benzyl-N-methylbutan-2-amine
CID 15496809
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
[2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene
CID 110284657
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of (2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine (CID 130522033) is (2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for (2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine is CC[C@@H](N)CN(Cc1ccccc1)C(C)C.
What is the InChIKey of (2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is YZJPXCKIPLFWJN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-14(15)11-16(12(2)3)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,15H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine?
(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 130522033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).